Electron counting in cationic and anionic silver clusters doped with a 3d transition-metal atom: endo-vs. exohedral geometry
K Minamikawa, S Sarugaku, M Arakawa… - Physical Chemistry …, 2022 - pubs.rsc.org
Electron counting is a concept that often governs properties of molecules, clusters, and
complexes. Here we explore silver clusters doped with a transition-metal atom, where it has …
complexes. Here we explore silver clusters doped with a transition-metal atom, where it has …
Effects of van der Waals interactions on the structure and stability of Cu8-xPdx (x= 0, 4, 8) cluster isomers
Detailed knowledge of the minimum energy and low-lying structures of metal clusters is
crucial to understand their physicochemical properties. In this work, the effect of van der …
crucial to understand their physicochemical properties. In this work, the effect of van der …
Magnetic nanodo**: Atomic control of spin states in cobalt doped silver clusters
The interaction of magnetic dopants with delocalized electron states can result in interesting
many-body physics. Here, the magnetic properties of neutral and charged finite silver metal …
many-body physics. Here, the magnetic properties of neutral and charged finite silver metal …
[HTML][HTML] Catalytic activity of Co–Ag nanoalloys to dissociate molecular hydrogen. New insights on the chemical environment
Adsorption of molecular hydrogen on the surface of catalytic metal nanoparticles and its
dissociation in atomic hydrogen are processes of interest in many chemical technologies. As …
dissociation in atomic hydrogen are processes of interest in many chemical technologies. As …
The geometry, electronic and magnetic properties of Zr n Ni (n= 2-14) clusters: A first-principles jointed particle-swarm-optimization investigation
Y Du, Y Wang, X Ji, X Cui, H Duan, H Cao… - Physica Scripta, 2024 - iopscience.iop.org
Zirconium-nickel binary alloys and metal glass have superior performance like ultrahigh
fracture strength, good toughness. In this paper, the structures of small-sized Zr n Ni (n= 2 …
fracture strength, good toughness. In this paper, the structures of small-sized Zr n Ni (n= 2 …
Interaction of hydrogen with palladium–copper nanoalloys
Do** porous carbons with palladium nanoparticles is known to enhance the hydrogen
storage capacity of these materials. Alloying palladium with the non-expensive metal copper …
storage capacity of these materials. Alloying palladium with the non-expensive metal copper …
C60Con complexes as hydrogen adsorbing materials
An active line of contemporary research is dedicated to the adsorption and storage of
hydrogen on metal-doped carbon materials. Using density functional theory and van der …
hydrogen on metal-doped carbon materials. Using density functional theory and van der …
Exploring s–d, s–f, and d–f Electron Interactions in AgnCe+ and AgnSm+ by Chemical Reaction toward O2
M Arakawa, N Hayashi, K Minamikawa… - The Journal of …, 2022 - ACS Publications
We investigate gas-phase reactions of free Ag n Ce+ and Ag n Sm+ clusters with oxygen
molecules to explore s–d, s–f, and d–f electron interactions in the finite size regime; a Ce …
molecules to explore s–d, s–f, and d–f electron interactions in the finite size regime; a Ce …
Reaction of nitric oxide molecules on transition-metal-doped silver cluster cations: size-and dopant-dependent reaction pathways
M Arakawa, M Horioka, K Minamikawa… - Physical Chemistry …, 2021 - pubs.rsc.org
We report size-and dopant-dependent reaction pathways as well as reactivity of gas-phase
free AgnM+ (M= Sc–Ni) clusters interacting with NO. The reactivity of AgnM+, except for M …
free AgnM+ (M= Sc–Ni) clusters interacting with NO. The reactivity of AgnM+, except for M …
Concentration asymmetry and carbon enrichment in titanium carbide and silicon carbide clusters
The mass spectra of metal clusters obtained by gas aggregation and laser vaporization
techniques show variations of the abundance with cluster size, and the best-known …
techniques show variations of the abundance with cluster size, and the best-known …